ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

modernize code

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-10-09 11:18:33 -04:00
parent ed23a3aa69
commit 3a4b68a464
1 changed files with 3 additions and 6 deletions
Download Patch File Download Diff File Expand all files Collapse all files

9
src/EXTRA-MOLECULE/bond_fene_nm_split.cpp
View File

@ -83,9 +83,8 @@ void BondFENEnmSplit::compute(int eflag, int vflag)
// and crash the run if rlogarg < -.21 rather than < -3
// Don't print out warnings, only errors
if (rlogarg < .02) {
char str[128];
sprintf(str, "FENE bond too long: " BIGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT " %g",
update->ntimestep, atom->tag[i1], atom->tag[i2], sqrt(rsq));
error->warning(FLERR, "fene/nm/split bond too long: {} {} {} {}", update->ntimestep,
atom->tag[i1], atom->tag[i2], sqrt(rsq));
if (rlogarg <= -.21) error->one(FLERR, "Bad FENE bond");
rlogarg = 0.02;
}
@ -253,9 +252,7 @@ double BondFENEnmSplit::single(int type, double rsq, int /*i*/, int /*j*/, doubl
// and crash the run if rlogarg < -.21 rather than < -3
// Don't print out warnings, only errors
if (rlogarg < 0.02) {
char str[128];
sprintf(str, "FENE bond too long: " BIGINT_FORMAT " %g", update->ntimestep, sqrt(rsq));
error->warning(FLERR, "FENE bond too long: {} {:.8}", update->ntimestep, sqrt(rsq));
if (rlogarg <= -.21) error->one(FLERR, "Bad FENE bond");
rlogarg = 0.02;
}